SCHEMBL2911883

SCHEMBL2911883

Cc1nc(C(CCN)C2CCN(C)CC2)ncc1-c1nc2cc(C(C)(C)C)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.41
SSTR2 P30874 2/20 0.32
KCNH2 Q12809 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
EGFR P00533 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4543952 0.82 HRH4 (0.57) HRH4
SCHEMBL3950574 0.78 HRH4 (0.46) HRH4SSTR2KCNH2
SCHEMBL4537534 0.74 HRH4 (0.50) HRH4
SCHEMBL2907035 0.74 HRH4 (0.70) HRH4
SCHEMBL16266191 0.72 HRH4 (0.59) HRH4SSTR2KCNH2
SCHEMBL3897392 0.70 HRH4 (0.49) HRH4SSTR2KCNH2
SCHEMBL3478547 0.70 KCNH2 (0.36) SSTR2KCNH2EGFR
SCHEMBL602161 0.68 HRH4 (0.71) HRH4
SCHEMBL4543946 0.68 HRH4 (0.66) HRH4
SCHEMBL2906733 0.67 HRH4 (0.69) HRH4SSTR2KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007752-B1 BENZOIMIDAZOL-2-YL PYRIMIDINES AND PYRAZINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-08-18 EP claimed